CID 5713323

(2e)-3-(4-tert-butylphenyl)-n-[2-(1h-indol-3-yl)ethyl]prop-2-enamide

Structural Information

Molecular Formula
C23H26N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C23H26N2O/c1-23(2,3)19-11-8-17(9-12-19)10-13-22(26)24-15-14-18-16-25-21-7-5-4-6-20(18)21/h4-13,16,25H,14-15H2,1-3H3,(H,24,26)/b13-10+
InChIKey
XYIPOKICMMPCAH-JLHYYAGUSA-N
Compound name
(E)-3-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2045 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 188.3
[M+Na]+ 369.19372 194.6
[M-H]- 345.19722 193.1
[M+NH4]+ 364.23832 202.2
[M+K]+ 385.16766 187.3
[M+H-H2O]+ 329.20176 180.0
[M+HCOO]- 391.20270 207.8
[M+CH3COO]- 405.21835 213.1
[M+Na-2H]- 367.17917 191.2
[M]+ 346.20395 188.9
[M]- 346.20505 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.